CID 57697539

2h,3h,4h,5h-pyrido[4,3-f][1,4]oxazepine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1COC2=C(CN1)C=CN=C2

InChI

InChI=1S/C8H10N2O/c1-2-9-6-8-7(1)5-10-3-4-11-8/h1-2,6,10H,3-5H2

InChIKey

QAJQDCAYPDQVRO-UHFFFAOYSA-N

Compound name

2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 150.07932 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	151.08660	129.8
[M+Na]+	173.06854	140.7
[M+NH4]+	168.11314	137.7
[M+K]+	189.04248	136.4
[M-H]-	149.07204	132.1
[M+Na-2H]-	171.05399	135.8
[M]+	150.07877	131.9
[M]-	150.07987	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe